(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate

C11H18NO5- — CID 6932186

IUPAC(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C(=O)[O-])COC1(C)C
InChIInChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-7(8(13)14)6-16-11(12,4)5/h7H,6H2,1-5H3,(H,13,14)/p-1/t7-/m0/s1
InChIKeyXUYBSTJQGVZMSK-ZETCQYMHSA-M
MW244.27 g/mol
LogP0.11
Rot. Bonds1

About (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate

(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate (PubChem CID 6932186) has the molecular formula C11H18NO5- and a molecular weight of 244.27 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate
PubChem CID6932186
Molecular FormulaC11H18NO5-
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Name(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C(=O)[O-])COC1(C)C
InChIInChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-7(8(13)14)6-16-11(12,4)5/h7H,6H2,1-5H3,(H,13,14)/p-1/t7-/m0/s1
InChIKeyXUYBSTJQGVZMSK-ZETCQYMHSA-M
XLogP0.11
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate?
The IUPAC name of (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate (CID 6932186) is (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate is CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])COC1(C)C.
What is the InChIKey of (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate?
The InChIKey is XUYBSTJQGVZMSK-ZETCQYMHSA-M. The full InChI is InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-7(8(13)14)6-16-11(12,4)5/h7H,6H2,1-5H3,(H,13,14)/p-1/t7-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate?
(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate has a molecular weight of 244.27 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 6932186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).